UCSF

ZINC35994119

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2009 15 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -3.66 -13.28 -42.98 8 7 1 138 226.249 8
Hi High (pH 8-9.5) -3.66 -14.68 -10.68 7 7 0 133 225.241 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )